噻吨酮-3-甲酰胺 | 51762-89-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫色烯
• 中文名称: 噻吨酮-3-甲酰胺
• 英文名称: thioxanthone-3-carboxamide
• 英文别名: 9-Oxothioxanthene-3-carboxamide
• CAS: 51762-89-1
• 化学式: C₁₄H₉NO₂S
• 分子量: 255.297
• InChiKey: WTRAHHIRAUPMLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  85.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  噻吨酮-3-甲酰胺 在 氯化亚砜 作用下， 以 N-甲基乙酰胺 为溶剂， 生成 9-氧代-9H-噻吨-3-甲腈
  参考文献：
  名称：

  Antiallergic cyclic sulphur compounds

  摘要：

  某些三环噻吉喃-10,10-二氧化物化合物，其中每个在1-、2-、3-或4-位上被羧基或(5-四唑基)基取代，且每个在5-、6-、7-或8-位上可选择地被第二个羧基或(5-四唑基)基或氰基、卤素、硝基、烷基、烷氧基、酰基、氨基、酰胺基、硫代烷基、烷基砜基和烷基砜基之一的取代基取代，以及这些羧基取代化合物的盐、可选择地取代的酯和酰胺以及四唑基取代化合物的烷基衍生物，对于缓解或预防过敏症状是有用的。

  公开号：

  US04103015A1
• 作为产物：
  描述：

  thioxanthone-3-carboxylic acid 在 氯化亚砜 、 氨 作用下， 以 二氯甲烷 为溶剂， 生成 噻吨酮-3-甲酰胺
  参考文献：
  名称：

  Antiallergic cyclic sulphur compounds

  摘要：

  某些三环噻吉喃-10,10-二氧化物化合物，其中每个在1-、2-、3-或4-位上被羧基或(5-四唑基)基取代，且每个在5-、6-、7-或8-位上可选择地被第二个羧基或(5-四唑基)基或氰基、卤素、硝基、烷基、烷氧基、酰基、氨基、酰胺基、硫代烷基、烷基砜基和烷基砜基之一的取代基取代，以及这些羧基取代化合物的盐、可选择地取代的酯和酰胺以及四唑基取代化合物的烷基衍生物，对于缓解或预防过敏症状是有用的。

  公开号：

  US04103015A1

文献信息

• Cyclic sulphur compounds
  申请人：Burroughs Wellcome Co.

  公开号：US04012499A1

  公开（公告）日：1977-03-15

  Certain tricyclic thioxanthone-10,10-dioxide compounds each of which is substituted in the 1-,2-,3- or 4-position by a carboxyl or (5-tetrazolyl) group and each of which is optionally substituted in the 5-,6-,7- or 8-position by a second carboxyl or (5-tetrazolyl) group or a substituent selected from cyano, halogen, nitro, alkyl, alkoxy, acyl, amino, acylamino, thioalkyl, alkylsulphinyl and alkylsulphonyl, as well as salts, and optionally substituted esters and amides of the carboxyl substituted compounds and alkyl derivatives of the tetrazolyl substituted compounds, are useful for the relief or prophylaxis of allergic conditions.

  一些三环噻二氧杂蒽-10,10-二氧化物化合物，其中每个在1、2、3或4位被羧基或(5-四唑基)基取代，同时每个在5、6、7或8位可选择地被第二个羧基或(5-四唑基)基或氰基、卤素、硝基、烷基、烷氧基、酰基、氨基、酰胺基、硫代烷基、烷基砜基和烷基砜基等取代基取代，以及这些羧基取代化合物的盐、可选择地取代的酯和酰胺以及四唑基取代化合物的烷基衍生物，可用于缓解或预防过敏症状。
• LIGANDS THAT TARGET HCV-E2 BINDING SITES ON CD81 AND THERAPEUTIC METHODS USING THEM
  申请人：American University of Cairo

  公开号：US20150328329A1

  公开（公告）日：2015-11-19

  Ligands that target the HCV-E2 binding site and methods of making and using them. A series of ligand binding sites on the large extracellular loop of the open conformation of CD81 have been identified. Several important sites were located in regions identified by mutational studies to be the site of E2 binding. Ligands that recognize these sites were identified. Linking together two or three ligands that bind with low or moderate affinities to different structurally unique sites on a target protein were used to generate small molecule ligand conjugates that exhibit very high affinities to their CD81 targets. Hybrid ligand molecules were also designed using fragment-based drug design methods to generate analogs of the ligands that bind more tightly to the protein than the parent compounds. Identification and design of groups of compounds that bind to CD81 for use as therapeutics for treating patients infected by Hepatitis C virus and other viruses that interact with CD81. By binding to CD81, these molecules can block 1) HCV and other viral entry into cells (infection), 2) inflammatory responses caused by HCV and other viral infections, and 3) the induction of HCV associated cancers.
• US4103015A
  申请人：——

  公开号：US4103015A

  公开（公告）日：1978-07-25
• Antiallergic cyclic sulphur compounds
  申请人：Burroughs Wellcome Co.

  公开号：US04103015A1

  公开（公告）日：1978-07-25

  Certain tricyclic thioxanthone-10,10-dioxide compounds each of which is substituted in the 1-,2-,3- or 4-position by a carboxyl or (5-tetrazolyl) group and each of which is optionally substituted in the 5-,6-,7- or 8-position by a second carboxyl or (5-tetrazolyl) group or a substituent selected from cyano, halogen, nitro, alkyl, alkoxy, acyl, amino, acylamino, thioalkyl, alkylsulphinyl and alkylsulphonyl, as well as salts, and optionally substituted esters and amides of the carboxyl substituted compounds and alkyl derivatives of the tetrazolyl substituted compounds, are useful for the relief or prophylaxis of allergic conditions.

  某些三环噻吉喃-10,10-二氧化物化合物，其中每个在1-、2-、3-或4-位上被羧基或(5-四唑基)基取代，且每个在5-、6-、7-或8-位上可选择地被第二个羧基或(5-四唑基)基或氰基、卤素、硝基、烷基、烷氧基、酰基、氨基、酰胺基、硫代烷基、烷基砜基和烷基砜基之一的取代基取代，以及这些羧基取代化合物的盐、可选择地取代的酯和酰胺以及四唑基取代化合物的烷基衍生物，对于缓解或预防过敏症状是有用的。